N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

C17H19FN4O2 — CID 71994283

IUPACN-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)CC1=O
InChIInChI=1S/C17H19FN4O2/c1-21-11-12(10-16(21)23)17(24)19-8-6-14-7-9-22(20-14)15-4-2-13(18)3-5-15/h2-5,7,9,12H,6,8,10-11H2,1H3,(H,19,24)
InChIKeyXNSUAFDCVYZALJ-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.15
Rot. Bonds5

About N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 71994283) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID71994283
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC NameN-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)CC1=O
InChIInChI=1S/C17H19FN4O2/c1-21-11-12(10-16(21)23)17(24)19-8-6-14-7-9-22(20-14)15-4-2-13(18)3-5-15/h2-5,7,9,12H,6,8,10-11H2,1H3,(H,19,24)
InChIKeyXNSUAFDCVYZALJ-UHFFFAOYSA-N
XLogP1.15
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 71994283) is N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is CN1CC(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)CC1=O.
What is the InChIKey of N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XNSUAFDCVYZALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-21-11-12(10-16(21)23)17(24)19-8-6-14-7-9-22(20-14)15-4-2-13(18)3-5-15/h2-5,7,9,12H,6,8,10-11H2,1H3,(H,19,24).
What are the key properties of N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 71994283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).